Chrysanthemic Acid (HCID 2743)

이름 및 식별자

우선 이름: Chrysanthemic Acid
IUPAC: 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
영어명: 2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid
분자식: C10H16O2
분자량: 168.23

이름 및 동의어

CHRYSANTHEMIC ACID10453-89-1Chrysanthemumic acidChrysanthemummonocarboxylic acid2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acidCHEBI:3680DTXSID30871866774IH300I2Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-RefChem:125954chrysanthemic acid, (+,-)

이름 더 보기

C09842Nsc11779chrysanthemicaciChrysanthemic AidchrysanthemumicacidCIS/TRANS-CHRYSANTHEMIC ACIDCHRYSANTHEMUM MONOCARBOXYLIC ACIDchrysanthemummonocarboxylicacidmixedisomersChrysanthemic acid (cis/trans=1:10) 98% (GC)

DTXCID90819481233-941-2NSC 117792,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acidD,L-cis,trans-Chrysanthemic acidMFCD000576983-Isobutenyl-2,2-dimethylcyclopropanecarboxylic acid2-(1-Isobutenyl)-3,3-dimethylcyclopropanecarboxylic acid

데이터베이스 식별자

CAS: 10453-89-1、2935-23-1、705-16-8
PubChem CID: 2743
DTXSID: DTXSID30871866
ChEMBL: CHEMBL1437285
ChEBI: CHEBI:3680
EC Number: 211-883-9、220-908-2、233-941-2
Nikkaji: J10.459K

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 234

실험 및 물리화학적 성질

Kovats Retention Index1283；1343.2

Collision Cross Section130 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

끓는 점: 257.18 °C · 257.18°C (rough estimate)
밀도: 0.9812 · 0.9812 (rough estimate)
굴절률: 1.489 · 1.4890 (estimate)
녹는점: 50 · 50-51 °C
산도 계수 (pKa): 4.9 · 4.90±0.33(Predicted)
물리적 상태: 기름
색상: 옅은 노랑
EPA: 2 · Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)- (10453-89-1)

안전 및 규제

GHS 분류

GHS Classification · 2건

Not Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and Categories · 2건

Not Classified

안전 데이터

tsca: TSCA listed
독성: guinea pig,LD50,oral,2500mg/kg (2500mg/kg),Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 16, 1986.
기존화학 물질: 2001-3-1912

화학 및 산업

용도 및 제조

General Manufacturing InformationCyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-: INACTIVE

응용 분야

용도Chrysanthemic Acid is an intermediate in the synthesis of Chrysanthemic Acid (C903440); Dimethrin is a pesticide, a pyrethroid insecticide. An acaricide for agricultural purposes.

상·하류 제품 정보

상류 원료

orthoacetic acid 1-헥센 ESTRONE(RG)이소부텐 디아조아세트산 3-메틸-1-뷰텐 First chrysanthemic 1-헵텐 에틸 크리산테메이트 이소부티릴 클로라이드

하류 제품

Empenthrin

공급사23 곳

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Syntechem Co.,Ltd[email protected]

추가 설명

정의ChEBI: A monocarboxylic acid that is cyclopropanecarboxylic acid substituted by two methyl groups at position 2 and a 2-methylprop-1-en-1-yl group at position 3.